1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone

C16H13BrFNO — CID 47444507

IUPAC1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H13BrFNO/c17-13-3-6-15-12(10-13)7-8-19(15)16(20)9-11-1-4-14(18)5-2-11/h1-6,10H,7-9H2
InChIKeyMQWAYQLAUMAPCE-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.72
Rot. Bonds2

About 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone

1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 47444507) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone
PubChem CID47444507
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H13BrFNO/c17-13-3-6-15-12(10-13)7-8-19(15)16(20)9-11-1-4-14(18)5-2-11/h1-6,10H,7-9H2
InChIKeyMQWAYQLAUMAPCE-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone (CID 47444507) is 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is MQWAYQLAUMAPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-13-3-6-15-12(10-13)7-8-19(15)16(20)9-11-1-4-14(18)5-2-11/h1-6,10H,7-9H2.
What are the key properties of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone?
1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 334.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 47444507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).